Geometry & MOs

Info

ID:	185541
PubChem CID:	77311869
Reduced:	BrFO4N5H19C25 (1)
Stoich.:	ABC4D5E19F25 (1)
Weight, g/mol:	496.149518
ΔH_f, kcal/mol:	-83.01
Dipole, Da:	7.27
IP(EA), eV:	-8.84(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-cyano-2-(5-oxo-1,2,4-oxadiazolidin-3-yl)phenyl]-7-[(2-phenoxyacetyl)amino]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)NC(=O)CC3=CC=C(C=C3)F)NC(=C2)C(=O)NC4=C(C=C(C=C4)Br)C5NC(=O)ON5

DOS

IR

Vibrations